ONIOM quantum chemistry study of cyclic nucleotide recognition in phosphodiesterase 5

2007 ◽  
Vol 107 (12) ◽  
pp. 2197-2203 ◽  
Author(s):  
Kerrie A. O'Brien ◽  
E. A. Salter ◽  
A. Wierzbicki
Keyword(s):  
Quantum Chemistry ◽  
Cyclic Nucleotide ◽  
Nucleotide Recognition ◽  
Phosphodiesterase 5

The first 3′:5′-cyclic nucleotide–amino acid complex:L-His–cIMP

2012 ◽  
Vol 68 (8) ◽  
pp. o311-o316 ◽  
Author(s):  
Katarzyna Ślepokura
Keyword(s):  
Crystal Structure ◽  
Amino Acid ◽  
Cyclic Nucleotide ◽  
Phosphate Group ◽  
Specific Amino Acid ◽  
Π Stacking ◽  
Cyclic Phosphate ◽  
Nucleotide Recognition ◽  
Group Play ◽  
Phosphate Groups

In the crystal structure of the L-His–cIMP complex,i.e.L-histidinium inosine 3′:5′-cyclic phosphate [systematic name: 5-(2-amino-2-carboxyethyl)-1H-imidazol-3-ium 7-hydroxy-2-oxo-6-(6-oxo-6,9-dihydro-1H-purin-9-yl)-4a,6,7,7a-tetrahydro-4H-1,3,5,2λ5-furo[3,2-d][1,3,2λ5]dioxaphosphinin-2-olate], C6H10N3O2+·C10H10N4O7P−, the Hoogsteen edge of the hypoxanthine (Hyp) base of cIMP and the Hyp face are engaged in specific amino acid–nucleotide (His...cIMP) recognition,i.e.by abutting edge-to-edge and by π–π stacking, respectively. The Watson–Crick edge of Hyp and the cIMP phosphate group play a role in nonspecific His...cIMP contacts. The interactions between the cIMP anions (anti/C3′–endo/trans–gauche/chair conformers) are realized mainly between riboses and phosphate groups. The results for this L-His–cIMP complex, compared with those for the previously reported solvated L-His–IMP crystal structure, indicate a different nature of amino acid–nucleotide recognition and interactions upon the 3′:5′-cyclization of the nucleotide phosphate group.

KF31327, a new potent and selective inhibitor of cyclic nucleotide phosphodiesterase 5

2001 ◽  
Vol 431 (1) ◽  
pp. 17-24 ◽  
Author(s):  
Ryo Hirose ◽  
Hiroshi Okumura ◽  
Akiko Yoshimatsu ◽  
Junko Irie ◽  
Yasuo Onoda ◽  
...  
Keyword(s):  
Cyclic Nucleotide ◽  
Selective Inhibitor ◽  
Cyclic Nucleotide Phosphodiesterase ◽  
Phosphodiesterase 5

scholarly journals Targeting cyclic nucleotide phosphodiesterase 5 (PDE5) in brain: Toward the development of a PET radioligand labeled with fluorine-18

2019 ◽  
Vol 86 ◽  
pp. 346-362 ◽  
Author(s):  
Barbara Wenzel ◽  
Jianrong Liu ◽  
Sladjana Dukic-Stefanovic ◽  
Winnie Deuther-Conrad ◽  
Rodrigo Teodoro ◽  
...  
Keyword(s):  
Cyclic Nucleotide ◽  
Cyclic Nucleotide Phosphodiesterase ◽  
Phosphodiesterase 5
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